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In the latter case, due to the small separation, both groups of levels are expected to be populated already at 9 K.
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In the latter case, due to the small separation, both groups of levels are expected to be populated already at 9 K.
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Full diagonalization of the ligand-field Hamiltonian actually displays a small splitting of the doublet with main | ±6 components, due to the A44 parameter (0.11 meV in the case of model A). This is compatible with the full width at half maximum (FWHM) of the corresponding Lorentzian curve in the optical-absorption spectra (0.15 meV), which is significantly larger than the experimental resolution.
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Full diagonalization of the ligand-field Hamiltonian actually displays a small splitting of the doublet with main | ±6 components, due to the A44 parameter (0.11 meV in the case of model A). This is compatible with the full width at half maximum (FWHM) of the corresponding Lorentzian curve in the optical-absorption spectra (0.15 meV), which is significantly larger than the experimental resolution.
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